[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate CAS Name: 3-[(4-bromophenyl)sulfonylamino]benzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate Traditional Name: 3-(brosylamino)benzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C19H21BrN2O5S MolecularWeight: 469.34944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C19H21BrN2O5S/c1-13(2)11-21-18(23)12-27-19(24)14-4-3-5-16(10-14)22-28(25,26)17-8-6-15(20)7-9-17/h3-10,13,22H,11-12H2,1-2H3,(H,21,23)